SCHEMBL31359263

SCHEMBL31359263

Cc1nc2cc(C(C)C)ccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
RAB9A P51151 4/20 0.53
ALDH1A1 P00352 4/20 0.53
NPC1 O15118 3/20 0.53
HSD17B10 Q99714 2/20 0.53
MAPT P10636 2/20 0.53
TP53 P04637 2/20 0.53
PKM P14618 1/20 0.53
HPGD P15428 1/20 0.53
GAA P10253 1/20 0.50
SCN4A P35499 1/20 0.49
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.46
OGA O60502 4/20 0.46
PAX8 Q06710 1/20 0.42
NOD2 Q9HC29 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL85424 1.00 SMN1; SMN2 (0.53) SMN1; SMN2RAB9AALDH1A1NPC1HSD17B10
SCHEMBL30644691 0.86 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AALDH1A1NPC1HSD17B10
SCHEMBL17541679 0.86 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AALDH1A1NPC1HSD17B10
SCHEMBL17541632 0.86 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AALDH1A1NPC1HSD17B10
SCHEMBL2609433 0.85 SMN1; SMN2 (0.67) SMN1; SMN2RAB9AALDH1A1NPC1HSD17B10
SCHEMBL19987494 0.83 HSD17B10 (0.51) SMN1; SMN2RAB9AALDH1A1NPC1HSD17B10
SCHEMBL18731289 0.83 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AALDH1A1NPC1HSD17B10
SCHEMBL889391 0.81 RAB9A (0.49) SMN1; SMN2RAB9AALDH1A1NPC1HSD17B10
SCHEMBL20437358 0.80 HSD17B10 (0.49) SMN1; SMN2RAB9AALDH1A1NPC1HSD17B10
SCHEMBL14288353 0.80 RAB9A (0.47) SMN1; SMN2RAB9AALDH1A1NPC1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4733299-A1 SULFUR-CONTAINING FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shenzhen Braegen Pharmaceutical Co., Ltd. (CN) 2026-04-29 EP disclosed
WO-2024240186-A1 SULFUR-CONTAINING FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF 深圳博芮健制药有限公司 2024-11-28 WO disclosed